1H-Indazole,6-bromo-4-fluoro- supplier

Name
6-BROMO-4-FLUORO-1H-INDAZOLE
EINECS
CAS No. 885520-23-0
Article Data11
CAS DataBase
Density 1.862 g/cm³
Solubility
Melting Point
Formula C₇H₄BrFN₂
Boiling Point 331.275 °C at 760 mmHg
Molecular Weight 215.025
Flash Point 154.15 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 6-bromo-4-fluoro-1H-indazole;
PSA 28.68000
LogP 2.46450

1H-Indazole,6-bromo-4-fluoro- Specification

The 1H-Indazole,6-bromo-4-fluoro- has the CAS registry number 885520-23-0. This chemical's molecular formula is C₇H₄BrFN₂ and molecular weight is 215.02. What's more, its systematic name is 6-bromo-4-fluoro-1H-indazole.

Physical properties of 1H-Indazole,6-bromo-4-fluoro- are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.584; (4)ACD/LogD (pH 7.4): 2.584; (5)ACD/BCF (pH 5.5): 54.152; (6)ACD/BCF (pH 7.4): 54.151; (7)ACD/KOC (pH 5.5): 606.086; (8)ACD/KOC (pH 7.4): 606.073; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 44.304 cm³; (15)Molar Volume: 115.49 cm³; (16)Polarizability: 17.563×10^-24 cm³; (17)Surface Tension: 60.79 dyne/cm; (18)Density: 1.862 g/cm³; (19)Flash Point: 154.15 °C; (20)Enthalpy of Vaporization: 55.116 kJ/mol; (21)Boiling Point: 331.275 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: c1c(cc(c2c1[nH]nc2)F)Br
(2)InChI: InChI=1/C7H4BrFN2/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,(H,10,11)
(3)InChIKey: IHCPAAHPKILIIC-UHFFFAOYAS

Product Name

6-BROMO-4-FLUORO-1H-INDAZOLE

1H-Indazole,6-bromo-4-fluoro- Specification

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